Geometry & MOs

Info

ID:	138891
PubChem CID:	52440957
Reduced:	N2O3F6C18H18 (1)
Stoich.:	A2B3C6D18E18 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-378.05
Dipole, Da:	6.73
IP(EA), eV:	-9.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-butoxy-4-methoxyphenyl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)/C(=C\C1=CC=C(C=C1)OC([C@H](C(F)(F)F)F)(F)F)/C#N

DOS

IR

Vibrations